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Compact and high conversion efficiency mode-sorting asymmetric Y junction using shortcuts to adiabaticity
(Optica, 2014-04-08)
We propose a compact and high conversion efficiency asymmetric Y junction mode multiplexer/demultiplexer for applications in on-chip mode-division multiplexing. Traditionally, mode sorting is achieved by adiabatically ...
Glycine Adsorption at Nonstoichiometric (010) Hydroxyapatite Surfaces: A B3LYP Study
(ACS, 2012-06-12)
The adsorption of glycine on the Ca-rich and P-rich HA(010) nonstoichiometric surfaces has been studied at B3LYP level using a polarized triple-ζ basis set within periodic boundary conditions. Although the Ca-rich and ...
Competition between stacked and hydrogen bonded structures of cytosine aggregates
(RSC, 2017)
The four bases of DNA constitute what is known as the “alphabet of life”. Their combination of proton-donor and acceptor groups and aromatic rings allows them to form stacking structures and at the same time establish ...
Formation of a Nonlinear Optical Host–Guest Hybrid Material by Tight Confinement of LDS 722 into Aluminophosphate 1D Nanochannels
(Wiley, 2016-09-15)
In this work, hemicyanine dye LDS 722, is encapsulated into the 1-D elliptical nano-channels of MgAPO-11 aluminophosphate by crystallization inclusion method. The synthesis of the hybrid material has been optimized through ...
Exploring Caffeine–Phenol Interactions by the Inseparable Duet of Experimental and Theoretical Data
(Wiley, 2019-11)
Intermolecular interactions are difficult to model, especially in systems formed by multiple interactions. Such is the case of caffeine–phenol. Structural data has been extracted by using mass-resolved excitation spectroscopy ...
High conductance values in pi-folded molecular junctions
(Nature Publishing, 2017-05-18)
Folding processes play a crucial role in the development of function in biomacromolecules. Recreating this feature on synthetic systems would not only allow understanding and reproducing biological functions but also ...
Highly Luminescent and Optically Switchable Hybrid Material by One Pot Encapsulation of Dyes into MgAPO-11 Unidirectional Nanopores
(ACS, 2014-02-06)
In this work a highly fluorescent hybrid material with strong anisotropic response is obtained by “one-pot” synthesis. The system is based on the “in situ” encapsulation of two chromophores, Acridine (AC) and Pyronine Y ...
Prediction of Two-dimensional Phase of Boron with Anisotropic Electric Conductivity
(2017-03-01)
Two-dimensional (2D) phases of boron are rare and unique. Here we report a new 2D all-boron phase (named the π phase) that can be grown on a W(110) surface. The π phase, composed of four-membered rings and six-membered ...
One pot stimuli-responsive linear waterborne polyurethanes via Diels-Alder reaction
(Elsevier, 2019-01-25)
Different strategies were used to obtain waterborne polyurethanes containing Diels-Alder moieties. In the first one (two pot), furan and maleimide end capped waterborne polyurethane dispersions were synthesized with the ...
The Six Isomers of the Cyclohexanol Dimer: A Delicate Test for Dispersion Models
(Wiley, 2020)
The cyclohexanol homodimer acts as a delicate test model of the role of dispersion forces in intermolecular association. Whereas phenol produces a single dimer, the suppression of π interactions and the larger conformational ...